Input 03-xc.gga_c_pw91.inp

Commits > Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 > Run foss_cuda_autotools: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
gga_c_pw91 Eigenvalue up -5.468620000000000e-01 -5.468995000000000e-01 4.130000000000000e-05 3.750000000002363e-05 PASS
gga_c_pw91 Eigenvalue dn -5.909110000000000e-01 -5.909370000000000e-01 2.860000000000000e-05 2.600000000008151e-05 PASS
gga_c_pw91 Correlation -1.535877000000000e-02 -1.535891500000000e-02 1.600000000000000e-07 1.450000000000062e-07 PASS
gga_c_pw91 Int[n*v_xc] -2.184193000000000e-02 -2.184213000000000e-02 2.200000000000000e-07 2.000000000022817e-07 PASS
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